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	hartrees
Energy at 0K	-277.712367
Energy at 298.15K
HF Energy	-276.981231
Nuclear repulsion energy	131.150697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3047	18.83
2	A'	3126	3012	24.05
3	A'	3064	2952	3.53
4	A'	1477	1423	6.58
5	A'	1445	1392	63.18
6	A'	1383	1332	2.24
7	A'	1163	1121	51.18
8	A'	1155	1113	64.01
9	A'	873	841	11.49
10	A'	558	538	6.38
11	A'	460	443	13.66
12	A"	3155	3040	10.90
13	A"	1478	1424	0.32
14	A"	1382	1332	19.63
15	A"	1149	1107	145.73
16	A"	954	919	67.95
17	A"	378	364	0.12
18	A"	236	227	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.172	0.000
C2	-0.909	1.045	0.000
H3	1.279	0.721	0.000
F4	0.325	-0.655	1.106
F5	0.325	-0.655	-1.106
H6	-1.806	0.406	0.000
H7	-0.908	1.682	0.899
H8	-0.908	1.682	-0.899

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5112	1.1015	1.3810	1.3810	2.1435	2.1467	2.1467
C2	1.5112		2.2117	2.3736	2.3736	1.1012	1.1016	1.1016
H3	1.1015	2.2117		2.0073	2.0073	3.1013	2.5525	2.5525
F4	1.3810	2.3736	2.0073		2.2128	2.6248	2.6501	3.3167
F5	1.3810	2.3736	2.0073	2.2128		2.6248	3.3167	2.6501
H6	2.1435	1.1012	3.1013	2.6248	2.6248		1.8001	1.8001
H7	2.1467	1.1016	2.5525	2.6501	3.3167	1.8001		1.7974
H8	2.1467	1.1016	2.5525	3.3167	2.6501	1.8001	1.7974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.271	C1	C2	H7	109.496
C1	C2	H8	109.496	C2	C1	H3	114.773
C2	C1	F4	110.228	C2	C1	F5	110.228
H3	C1	F4	107.376	H3	C1	F5	107.376
F4	C1	F5	106.481	H6	C2	H7	109.611
H6	C2	H8	109.611	H7	C2	H8	109.342

All results from a given calculation for CH₃CHF₂ (Ethane, 1,1-difluoro-)

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CHF2 (Ethane, 1,1-difluoro-)

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHF₂ (Ethane, 1,1-difluoro-)